Vitas-M small molecule compound
4-[(4-methoxyphenyl)amino]-4-oxo-2-{[4-(pyrimidin-2-yl)-1,4-diazepan-1-yl]methyl}butanoic acid
Catalog ID
STL158969
SMILES COc1ccc(cc1)NC(=O)CC(C(=O)O)CN1CCCN(CC1)c1ncccn1
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We supply compounds in quantities from 1 mg up to 5 g for research and development purposes only.
We do not supply quantities above 5 g.
Structure and other identifiers
2D representation rendered from the SMILES, with core physicochemical data.Formula C21H27N5O4 MW 413.48 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H27N5O4/c1-30-18-6-4-17(5-7-18)24-19(27)14-16(20(28)29)15-25-10-3-11-26(13-12-25)21-22-8-2-9-23-21/h2,4-9,16H,3,10-15H2,1H3,(H,24,27)(H,28,29)InChIKey
QYGJHICCRSCMIN-UHFFFAOYSA-NSynonyms
1324094-07-61324094076
4((4methoxyphenyl)amino)4oxo2((4(pyrimidin2yl)14diazepan1yl)methyl)butanoicacid
4(4methoxyanilino)4oxo2((4pyrimidin2yl14diazepan1yl)methyl)butanoicacid
COC1=CC=C(C=C1)NC(=O)CC(CN2CCCN(CC2)C3=NC=CC=N3)C(=O)O
InChI=1SC21H27N5O4c130186417(5718)2419(27)1416(20(28)29)15251031126(131225)21228292321h24916H31015H21H3(H2427)(H2829)
MFCD19709704
ZINC000071282427
ZINC000071282429
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